3-(1H-imidazol-2-ylamino)propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-(1H-imidazol-2-ylamino)propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-(1H-imidazol-2-ylamino)propyl 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)peroxyacetate CAS Name: 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoic acid 3-(1H-imidazol-2-ylamino)propyl ester IUPAC Name: 3-(1H-imidazol-2-ylamino)propyl 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Traditional Name: 2-(3-keto-1,2,4,5-tetrahydro-2-benzazepin-4-yl)peracetic acid 3-(1H-imidazol-2-ylamino)propyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NCC2=CC=CC=C21)CC(=O)OOCCCNC3=NC=CN3

Isomeric SMILES

C1C(C(=O)NCC2=CC=CC=C21)CC(=O)OOCCCNC3=NC=CN3

InChI

InChI=1S/C18H22N4O4/c23-16(26-25-9-3-6-19-18-20-7-8-21-18)11-15-10-13-4-1-2-5-14(13)12-22-17(15)24/h1-2,4-5,7-8,15H,3,6,9-12H2,(H,22,24)(H2,19,20,21)